3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione

C19H15NO3 — CID 166645438

IUPAC3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
SMILESC=Cc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1
InChIInChI=1S/C19H15NO3/c1-2-11-3-5-13-12(9-11)4-7-16-18(13)15(10-23-16)14-6-8-17(21)20-19(14)22/h2-5,7,9-10,14H,1,6,8H2,(H,20,21,22)
InChIKeyPDFZPHSXDSCZHW-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.75
Rot. Bonds2

About 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione

3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione (PubChem CID 166645438) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
PubChem CID166645438
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
SMILESC=Cc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1
InChIInChI=1S/C19H15NO3/c1-2-11-3-5-13-12(9-11)4-7-16-18(13)15(10-23-16)14-6-8-17(21)20-19(14)22/h2-5,7,9-10,14H,1,6,8H2,(H,20,21,22)
InChIKeyPDFZPHSXDSCZHW-UHFFFAOYSA-N
XLogP3.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
(3S)-3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 158099478
tert-butyl N-[1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]carbamate
CID 158099480
(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one
CID 161164268
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160897263
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147267812
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
CID 177117602
1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazole-7-carbaldehyde
CID 166648979
tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860
3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508886
3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
CID 170181374

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione (CID 166645438) is 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione is C=Cc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1.
What is the InChIKey of 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione?
The InChIKey is PDFZPHSXDSCZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-2-11-3-5-13-12(9-11)4-7-16-18(13)15(10-23-16)14-6-8-17(21)20-19(14)22/h2-5,7,9-10,14H,1,6,8H2,(H,20,21,22).
What are the key properties of 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione?
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione has a molecular weight of 305.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 166645438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).